SCHEMBL11045266

SCHEMBL11045266

O=[N+]([O-])CC(O)C(O)C[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CPA1 P15085 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
HIF1A Q16665 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22611875 0.89 ALDH1A1 (0.38) ALDH1A1CPA1TDP1TSHRLMNA
SCHEMBL20088835 0.89 ALDH1A1 (0.38) ALDH1A1CPA1TDP1TSHRLMNA
SCHEMBL18095935 0.89 ALDH1A1 (0.38) ALDH1A1CPA1TDP1TSHRLMNA
SCHEMBL22611876 0.89 ALDH1A1 (0.38) ALDH1A1CPA1TDP1TSHRLMNA
SCHEMBL17151671 0.83
SCHEMBL10325471 0.83
SCHEMBL1703168 0.83
SCHEMBL18095943 0.83
SCHEMBL19916771 0.80
SCHEMBL5467078 0.80 ALDH1A1 (0.41) ALDH1A1CPA1TDP1TSHRCA5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431699-A REDUCTION OF RESIDUAL FORMALDEHYDE CONTENT ANGUS CHEMICAL COMPANY (US) 1984-02-14 US claimed
US-4431699-A REDUCTION OF RESIDUAL FORMALDEHYDE CONTENT ANGUS CHEMICAL COMPANY (US) 1984-02-14 US disclosed